N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide

C19H17F2N3O2S — CID 42185868

IUPACN-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCc1ccc2nc(NC(=O)CCNC(=O)c3ccc(F)cc3F)sc2c1
InChIInChI=1S/C19H17F2N3O2S/c1-2-11-3-6-15-16(9-11)27-19(23-15)24-17(25)7-8-22-18(26)13-5-4-12(20)10-14(13)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAGZYBYGNXSAHTJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.90
Rot. Bonds6

About N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 42185868) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID42185868
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCc1ccc2nc(NC(=O)CCNC(=O)c3ccc(F)cc3F)sc2c1
InChIInChI=1S/C19H17F2N3O2S/c1-2-11-3-6-15-16(9-11)27-19(23-15)24-17(25)7-8-22-18(26)13-5-4-12(20)10-14(13)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAGZYBYGNXSAHTJ-UHFFFAOYSA-N
XLogP3.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24564334
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 24597030
N-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18229970
2,4-difluoro-N-[3-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 55818493
2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 24597210
N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethylanilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657044
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 38999972
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289824
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
N-[(4-ethylphenyl)methyl]-3-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 46289626

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide (CID 42185868) is N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide is CCc1ccc2nc(NC(=O)CCNC(=O)c3ccc(F)cc3F)sc2c1.
What is the InChIKey of N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is AGZYBYGNXSAHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-2-11-3-6-15-16(9-11)27-19(23-15)24-17(25)7-8-22-18(26)13-5-4-12(20)10-14(13)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 389.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 42185868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).